SCHEMBL4044406

SCHEMBL4044406

COc1ccccc1CCNC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.55
F2 P00734 1/20 0.49
MPO P05164 1/20 0.49
BACE1 P56817 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
NPY1R P25929 1/20 0.46
HTT P42858 1/20 0.46
NPY2R P49146 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCR3 P51677 1/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5220636 0.99 BCHE (0.54) BCHEF2MPOBACE1OPRM1
SCHEMBL5389340 0.91 CTSG (0.50) BCHEF2BACE1KDM4ETAAR1
Hydrochloric Acid SCHEMBL5217206 0.90 CTSG (0.49) BCHEF2BACE1KDM4ELMNA
SCHEMBL5216965 0.88 BCHE (0.69) BCHEF2BACE1KDM4ELMNA
SCHEMBL3350055 0.88 CAPN1 (0.50) BCHEF2KMT2AADRB2ADRB1
SCHEMBL4048957 0.83 ADRB2 (0.65) OPRM1LMNAHTTKMT2AADRB2
Hydrochloric Acid SCHEMBL5222024 0.82 F2 (0.43) BCHEF2MPOADRB2ADRB1
SCHEMBL3349155 0.81 KDM4E (0.58) BCHEKDM4EKMT2ASMN1; SMN2ADRB2
SCHEMBL496056 0.81 ANPEP (0.55) BCHEF2LMNASMN1; SMN2ADRB2
SCHEMBL3347864 0.81 ANPEP (0.55) BCHEF2LMNASMN1; SMN2ADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE BCHE 3/4885F2 452/4885MPO 2709/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.